Completing data — usually done within a minute
Basic information
- CAS
143246-73-5- Standard SMILES
O=S(Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1- InChIKey
WEJMICDBYIOXOH-UHFFFAOYSA-N- Molecular formula
- C21H17NOS2
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.07515616
Names & identifiers
- Preferred name
- 1H-Indole, 2-[(phenylsulfinyl)methyl]-3-(phenylthio)-
- IUPAC
- 2-(benzenesulfinylmethyl)-3-phenylsulfanyl-1H-indole
Names & synonyms
1H-Indole, 2-[(phenylsulfinyl)methyl]-3-(phenylthio)-143246-73-52-[(benzenesulfinyl)methyl]-3-(phenylsulfanyl)-1H-indole5Cl3PhS-2IndolCONH2 inhibitor 5a2-(benzenesulfinylmethyl)-3-phenylsulfanyl-1H-indole3PhS-2PhSOMe-IndolBDBM2279CHEMBL280551SCHEMBL8938441DTXSID90332403WEJMICDBYIOXOH-UHFFFAOYSA-N2-Phenylsulfinylmethyl-3-phenylthioindole
Show more names
2-Phenylsulfinylmethyl-3 -phenylthioindole3-(Phenylthio)-2-[(phenylsulfinyl)methyl]indole
Database identifiers
- CAS
143246-73-5- PubChem CID
- 454845
- DTXSID
DTXSID90332403- ChEMBL
CHEMBL280551- Nikkaji
- J548.736F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Related reactions
3 records
Compound notes
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